During the past decade, computer simulations based on a quantum‐mechanical description
of the interactions between electrons and between electrons and atomic nuclei have …

The development of terahertz technology in the last few decades has made it possible to
obtain a clear terahertz (THz) spectrum. THz vibrations clearly show the formation of weak …

Inelastic neutron scattering (INS) is a spectroscopic technique in which neutrons are used to
probe the dynamics of atoms and molecules in solids and liquids. This book is the first, since …

Terahertz radiation was generated with a biased and asymmetrically excited low-
temperature-grown GaAs photoconductive emitter, and characterized with a 20-μ m-thick …

Terahertz time-domain spectroscopy has been used to measure the vibrational spectra of
polycrystalline purine and adenine over the temperature range 4–290 K. A number of well …

The present paper reports a conformational study of solid‐state anhydrous guanine, using
vibrational spectroscopy techniques—infrared, Raman, and inelastic neutron scattering …

Solid-state geometry optimizations and corresponding normal-mode analysis of the widely
used energetic material cyclotrimethylenetrinitramine (RDX) were performed using density …

We demonstrate that terahertz (THz) time-domain spectroscopy is a powerful technique for
measuring temperature-dependent and spatially-resolved vibrational spectra in the …

The review generalizes the results of structural studies of crystals of organic and
organometallic compounds by modern quantum chemical calculations within the framework …

Density functional theory (DFT) methods, as implemented in the Vasp code, are used to
calculate the inelastic neutron scattering (INS) spectrum of urea, which has been measured …